UCSF

ZINC03849997

Substance Information

In ZINC since Heavy atoms Benign functionality
October 3rd, 2005 20 No

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 4.58 -0.47 -1.8 1 1 0 20 274.448 0

Vendor Notes

Note Type Comments Provided By
mp 135 - 136 MolMall (formerly Molecular Diversity Preservation International)
PUBCHEM_PATENT_ID EP0633893B1; EP0749977A2; EP0749977A3; EP0749977B1; EP0846417A1; EP0945135A2; US2806042; US4170518; US4179453; US5604213; US5792759; US5811248; US5955584; US6093389; WO1986004236A1; WO1986004238A1 IBM Patent Data

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )